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89787-31-5 | Cyclohexanone, 2-[5-acetyl-2-(dimethylamino)phenyl]-
CAS No: 89787-31-5 Catalog No: AG003ZW2 MDL No:
Product Description
Catalog Number:
AG003ZW2
Chemical Name:
Cyclohexanone, 2-[5-acetyl-2-(dimethylamino)phenyl]-
CAS Number:
89787-31-5
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
IUPAC Name:
2-[5-acetyl-2-(dimethylamino)phenyl]cyclohexan-1-one
InChI:
InChI=1S/C16H21NO2/c1-11(18)12-8-9-15(17(2)3)14(10-12)13-6-4-5-7-16(13)19/h8-10,13H,4-7H2,1-3H3
InChI Key:
IXRCTXPSQDJHIT-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1c1cc(ccc1N(C)C)C(=O)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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